2-Chloro-3-(chloroamino)naphthalene-1,4-dione
Basic information
- CAS
155669-77-5- Standard SMILES
O=C1C(Cl)=C(NCl)C(=O)c2ccccc21- InChIKey
NMKFCUZEFPRPJX-UHFFFAOYSA-N- Molecular formula
- C10H5Cl2NO2
- Average molar mass
- 242.05 g/mol
- Monoisotopic mass
- 240.9697338
Names & identifiers
- Preferred name
- 2-Chloro-3-(chloroamino)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(chloroamino)naphthalene-1,4-dione
- English name
- 1,4-Naphthalenedione, 2-chloro-3-(chloroamino)-
- Molecular formula
- C10H5Cl2NO2
- Molecular weight
- 242.06
Names & synonyms
2-chloro-3-(chloroamino)naphthalene-1,4-dione155669-77-51,4-Naphthalenedione, 2-chloro-3-(chloroamino)-DTXSID00935267N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hypochlorous amide
Database identifiers
- CAS
155669-77-5- PubChem CID
- 469396
- DTXSID
DTXSID00935267
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 319.1 · 319.1±52.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -10.37 · -10.37±0.20(Predicted)
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Compound notes
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